A novel integrated framework and improved methodology of computer-aided drug design

Current Topics in Medicinal Chemistry

Volumn 13, Issue 9, 2013, Pages 965-988

  Chen, Calvin Yu Chian ^a,b,c,d,e,f  

^a ZHEJIANG UNIVERSITY   (China)

^b ASIA UNIVERSITY   (Taiwan)

^c CHINA MEDICAL UNIVERSITY BEIGANG HOSPITAL   (Taiwan)

^d CHINA MEDICAL UNIVERSITY   (Taiwan)

^e CHINA MEDICAL UNIVERSITY HOSPITAL   (Taiwan)

^f Massachusetts Institute of Technology Cambridge   (United States)

Author keywords

Docking; Drug design; Ligand based drug design; Pathway; Structure based drug design; Traditional chinese medicine (tcm)

Indexed keywords

ARCTIGENIN; EPIDERMAL GROWTH FACTOR RECEPTOR KINASE INHIBITOR; MATAIRESINOL; PINORESINOL; SECOISOLARICIRESINOL;

ALGORITHM; ARTICLE; BAYES THEOREM; BIOLOGICAL ACTIVITY; CHINESE MEDICINE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; COMPUTER AIDED DESIGN; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PHARMACOPHORE; PREDICTION; PROTEIN INTERACTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SCORING SYSTEM; SEQUENCE ALIGNMENT; SIMULATION; VALIDATION PROCESS;

ALGORITHMS; COMPUTER-AIDED DESIGN; DRUG DESIGN; HUMANS; MEDICINE, CHINESE TRADITIONAL; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTOR, ERBB-2;

EID: 84878775187     PISSN: 15680266     EISSN: 18734294     Source Type: Journal    
DOI: 10.2174/1568026611313090002     Document Type: Article

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